2-methyl-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]propanoic acid

C10H16N4O3 — CID 63303675

IUPAC2-methyl-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]propanoic acid
SMILESCn1nccc1CNC(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C10H16N4O3/c1-10(2,8(15)16)13-9(17)11-6-7-4-5-12-14(7)3/h4-5H,6H2,1-3H3,(H,15,16)(H2,11,13,17)
InChIKeyDNLWPOCAMTUCKX-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.08
Rot. Bonds4

About 2-methyl-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]propanoic acid

2-methyl-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]propanoic acid (PubChem CID 63303675) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-methyl-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]propanoic acid
PubChem CID63303675
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name2-methyl-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]propanoic acid
SMILESCn1nccc1CNC(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C10H16N4O3/c1-10(2,8(15)16)13-9(17)11-6-7-4-5-12-14(7)3/h4-5H,6H2,1-3H3,(H,15,16)(H2,11,13,17)
InChIKeyDNLWPOCAMTUCKX-UHFFFAOYSA-N
XLogP0.08
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]butanoic acid
CID 79801072
1-methoxy-3-[(2-methylpyrazol-3-yl)methyl]urea
CID 131154196
3-[(2-methylpyrazol-3-yl)methylcarbamoylamino]propanoic acid
CID 63303802
N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 19292671
2-methyl-2-(1,2-oxazol-5-ylmethylcarbamoylamino)propanoic acid
CID 106420969
3-amino-3-methyl-N-[(2-methylpyrazol-3-yl)methyl]butanamide
CID 64678263
(2S)-2-amino-3,3-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]butanamide
CID 63302481
3-methyl-4-[(2-methylpyrazol-3-yl)methylcarbamoylamino]butanoic acid
CID 81069445
3-[(2-methylpyrazol-3-yl)methylcarbamoylamino]benzoic acid
CID 63303109
2-amino-N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 63302579
(2S)-2-amino-3,3-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]butanamide;hydrochloride
CID 119727683
1-(2-hydroxy-2,5-dimethylhexyl)-3-[(2-methylpyrazol-3-yl)methyl]urea
CID 111454512

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]propanoic acid?
The IUPAC name of 2-methyl-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]propanoic acid (CID 63303675) is 2-methyl-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]propanoic acid?
The canonical SMILES for 2-methyl-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]propanoic acid is Cn1nccc1CNC(=O)NC(C)(C)C(=O)O.
What is the InChIKey of 2-methyl-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]propanoic acid?
The InChIKey is DNLWPOCAMTUCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-10(2,8(15)16)13-9(17)11-6-7-4-5-12-14(7)3/h4-5H,6H2,1-3H3,(H,15,16)(H2,11,13,17).
What are the key properties of 2-methyl-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]propanoic acid?
2-methyl-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]propanoic acid has a molecular weight of 240.26 g/mol, XLogP of 0.08, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]propanoic acid is sourced from PubChem (CID 63303675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).